2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2984-4800 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C28 H31 N O5 S |
| Smiles: | CCSCCOC(C1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)NC=1C)c1cccc(c1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0813 |
| logD: | 0.601 |
| logSw: | -4.6396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.858 |
| InChI Key: | GGWFSVRNECHTQT-UHFFFAOYSA-N |